Benzene

Benzene

SCHEMBL6079490

C#Cc1c(C(=O)O)nc2c(C#N)ccc(C)c2c1OCc1ccccc1.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
PTPN1 P18031 1/20 0.37
MAOB P27338 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL6592619 0.82 XDH (0.39) XDHMRGPRX4MAOB
SCHEMBL6080439 0.82 XDH (0.39) XDHMRGPRX4MAOB
Benzene SCHEMBL6080664 0.82 MAPT (0.39) PTPN1
SCHEMBL6593145 0.78 XDH (0.40) XDH
SCHEMBL6080724 0.78 MAPT (0.38) MRGPRX4
SCHEMBL6080444 0.76 XDH (0.38) XDHMAOB
SCHEMBL6080482 0.73 XDH (0.40) XDHMAOB
SCHEMBL6817642 0.72 MRGPRX4 (0.50) XDHMRGPRX4PTPN1MAOB
SCHEMBL6593140 0.71 XDH (0.38) XDHPTPN1MAOB
SCHEMBL6594157 0.70 XDH (0.40) XDHMRGPRX4MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL XDH 128/4885MRGPRX4 238/4885PTPN1 2587/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.